9PUH
SARS-CoV-2 Papain-like Protease (PLpro) in complex with Fragment 11
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-06 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.553, 101.987, 128.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.620 - 2.390 |
| R-factor | 0.1944 |
| Rwork | 0.193 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.863 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.440 |
| High resolution limit [Å] | 2.390 | 2.400 |
| Rmerge | 0.043 | 0.560 |
| Rmeas | 0.045 | 0.610 |
| Rpim | 0.012 | 0.231 |
| Number of reflections | 52121 | 4499 |
| <I/σ(I)> | 27.1 | |
| Completeness [%] | 99.7 | 99.15 |
| Redundancy | 12.6 | 6.1 |
| CC(1/2) | 0.990 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 mM sodium citrate and 15-25 % PEG-3350 27.7 mg/mL protein 1:1 drop ratio |
